X6C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAQ | sing | 1.51Å | 1.55Å | |
| CAQ | OAB | doub | 1.21Å | 1.22Å | |
| CAQ | N | sing | 1.35Å | 1.34Å | |
| N | CD2 | sing | 1.47Å | 1.50Å | |
| N | CA | sing | 1.47Å | 1.52Å | |
| CD2 | CG | sing | 1.55Å | 1.52Å | |
| CG | OD1 | sing | 1.43Å | 1.41Å | |
| CG | CB | sing | 1.55Å | 1.51Å | |
| CB | CA | sing | 1.54Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.41Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | NAO | sing | 1.35Å | 1.35Å | |
| NAO | CAK | sing | 1.46Å | 1.49Å | |
| CAK | CAS | sing | 1.51Å | 1.44Å | |
| CAS | CAF | sing | 1.38Å | 1.41Å | Aromatic |
| CAS | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAT | sing | 1.39Å | 1.41Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAT | doub | 1.40Å | 1.42Å | Aromatic |
| CAT | CAU | sing | 1.48Å | 1.35Å | |
| CAU | OAP | sing | 1.35Å | 1.41Å | Aromatic |
| CAU | CAJ | doub | 1.36Å | 1.35Å | Aromatic |
| OAP | CAI | sing | 1.34Å | 1.43Å | Aromatic |
| CAI | NAN | doub | 1.30Å | 1.33Å | Aromatic |
| NAN | CAJ | sing | 1.34Å | 1.36Å | Aromatic |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| OD1 | HD1 | sing | 0.97Å | 0.95Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAQ | OAB | 120.4° | 120.0° |
| CAA | CAQ | N | 117.8° | 120.0° |
| CAQ | CAA | HAA1 | 109.5° | 109.5° |
| CAQ | CAA | HAA2 | 109.5° | 109.5° |
| CAQ | CAA | HAA3 | 109.5° | 109.5° |
| OAB | CAQ | N | 121.5° | 120.0° |
| CAQ | N | CD2 | 126.3° | 125.6° |
| CAQ | N | CA | 123.6° | 125.7° |
| CD2 | N | CA | 110.0° | 108.7° |
| N | CD2 | CG | 104.9° | 104.8° |
| N | CD2 | HD21 | 110.6° | 110.4° |
| N | CD2 | HD22 | 110.6° | 110.4° |
| N | CA | CB | 104.4° | 107.3° |
| N | CA | C | 114.2° | 109.9° |
| N | CA | HA | 108.5° | 109.8° |
| CD2 | CG | OD1 | 109.5° | 111.0° |
| CD2 | CG | CB | 105.5° | 101.5° |
| CG | CD2 | HD21 | 110.6° | 110.3° |
| CG | CD2 | HD22 | 110.6° | 110.3° |
| CD2 | CG | HG | 109.7° | 111.0° |
| OD1 | CG | CB | 110.8° | 111.0° |
| OD1 | CG | HG | 111.3° | 110.9° |
| CG | OD1 | HD1 | 109.5° | 114.0° |
| CG | CB | CA | 106.4° | 103.0° |
| CB | CG | HG | 109.8° | 111.1° |
| CG | CB | HB1C | 110.2° | 110.7° |
| CG | CB | HB2C | 110.2° | 110.7° |
| CB | CA | C | 111.1° | 110.0° |
| CB | CA | HA | 108.3° | 109.8° |
| CA | CB | HB1C | 110.2° | 110.9° |
| CA | CB | HB2C | 110.2° | 110.5° |
| CA | C | O | 122.2° | 120.0° |
| CA | C | NAO | 115.9° | 120.0° |
| C | CA | HA | 110.0° | 110.0° |
| O | C | NAO | 121.9° | 119.9° |
| C | NAO | CAK | 122.6° | 120.1° |
| C | NAO | HAO | 118.7° | 120.0° |
| NAO | CAK | CAS | 111.5° | 109.5° |
| CAK | NAO | HAO | 118.7° | 120.0° |
| NAO | CAK | HAK1 | 109.0° | 109.5° |
| NAO | CAK | HAK2 | 109.0° | 109.5° |
| CAK | CAS | CAF | 123.1° | 119.9° |
| CAK | CAS | CAE | 118.3° | 119.9° |
| CAS | CAK | HAK1 | 108.9° | 109.5° |
| CAS | CAK | HAK2 | 108.9° | 109.5° |
| CAF | CAS | CAE | 118.4° | 120.3° |
| CAS | CAF | CAH | 121.0° | 120.1° |
| CAS | CAF | HAF | 119.5° | 119.9° |
| CAS | CAE | CAG | 120.9° | 120.2° |
| CAS | CAE | HAE | 119.6° | 119.9° |
| CAF | CAH | CAT | 120.2° | 119.9° |
| CAH | CAF | HAF | 119.5° | 120.0° |
| CAF | CAH | HAH | 119.9° | 120.0° |
| CAH | CAT | CAG | 118.4° | 119.7° |
| CAH | CAT | CAU | 121.4° | 120.1° |
| CAT | CAH | HAH | 119.9° | 120.1° |
| CAE | CAG | CAT | 121.0° | 119.8° |
| CAG | CAE | HAE | 119.5° | 119.9° |
| CAE | CAG | HAG | 119.5° | 120.1° |
| CAG | CAT | CAU | 120.2° | 120.1° |
| CAT | CAG | HAG | 119.5° | 120.1° |
| CAT | CAU | OAP | 125.6° | 126.6° |
| CAT | CAU | CAJ | 126.3° | 126.6° |
| OAP | CAU | CAJ | 107.9° | 106.8° |
| CAU | OAP | CAI | 105.3° | 107.7° |
| CAU | CAJ | NAN | 109.2° | 107.5° |
| CAU | CAJ | HAJ | 125.4° | 126.3° |
| OAP | CAI | NAN | 107.4° | 109.0° |
| OAP | CAI | HAI | 126.3° | 125.5° |
| CAI | NAN | CAJ | 110.1° | 108.9° |
| NAN | CAI | HAI | 126.3° | 125.5° |
| NAN | CAJ | HAJ | 125.4° | 126.2° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HD21 | CD2 | HD22 | 109.5° | 110.4° |
| HB1C | CB | HB2C | 109.4° | 110.8° |
| HAK1 | CAK | HAK2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAQ | OAB | N | 174.8° | 180.0° |
| CAA | CAQ | N | CD2 | 5.0° | 0.0° |
| CAA | CAQ | N | CA | 179.3° | 179.7° |
| CAQ | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAQ | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAQ | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| OAB | CAQ | N | CD2 | 179.9° | 180.0° |
| OAB | CAQ | N | CA | 4.3° | 0.3° |
| OAB | CAQ | CAA | HAA1 | 0.0° | 0.1° |
| OAB | CAQ | CAA | HAA2 | 120.0° | 120.0° |
| OAB | CAQ | CAA | HAA3 | 120.0° | 120.0° |
| CAQ | N | CD2 | CA | 176.2° | 179.7° |
| CAQ | N | CD2 | CG | 160.8° | 155.9° |
| CAQ | N | CA | CB | 178.9° | 178.9° |
| CAQ | N | CA | C | 59.6° | 61.6° |
| N | CAQ | CAA | HAA1 | 175.0° | 180.0° |
| N | CAQ | CAA | HAA2 | 55.0° | 60.0° |
| N | CAQ | CAA | HAA3 | 65.0° | 60.0° |
| CAQ | N | CD2 | HD21 | 41.5° | 37.1° |
| CAQ | N | CD2 | HD22 | 80.0° | 85.3° |
| CAQ | N | CA | HA | 63.6° | 59.5° |
| N | CD2 | CG | HD21 | 119.3° | 118.8° |
| N | CD2 | CG | HD22 | 119.3° | 118.9° |
| N | CD2 | CG | OD1 | 91.7° | 81.0° |
| N | CD2 | CG | CB | 27.6° | 37.0° |
| CD2 | N | CA | CB | 2.5° | 1.4° |
| CD2 | N | CA | C | 124.0° | 118.2° |
| N | CD2 | HD21 | HD22 | 122.1° | 122.4° |
| CD2 | N | CA | HA | 112.8° | 120.8° |
| N | CD2 | CG | HG | 145.9° | 155.1° |
| CA | N | CD2 | CG | 15.5° | 24.4° |
| N | CA | CB | CG | 19.8° | 21.9° |
| N | CA | CB | C | 123.6° | 119.5° |
| N | CA | CB | HA | 115.5° | 119.4° |
| N | CA | C | HA | 122.4° | 121.0° |
| N | CA | C | O | 26.6° | 18.6° |
| N | CA | C | NAO | 154.6° | 161.4° |
| CA | N | CD2 | HD21 | 134.8° | 143.2° |
| CA | N | CD2 | HD22 | 103.8° | 94.5° |
| N | CA | CB | HB1C | 139.3° | 140.3° |
| N | CA | CB | HB2C | 99.8° | 96.5° |
| CD2 | CG | OD1 | CB | 116.0° | 112.1° |
| CD2 | CG | OD1 | HG | 121.4° | 123.9° |
| CD2 | CG | CB | HG | 118.2° | 118.1° |
| CD2 | CG | CB | CA | 29.7° | 35.3° |
| CG | CD2 | HD21 | HD22 | 122.1° | 122.3° |
| CD2 | CG | OD1 | HD1 | 180.0° | 61.5° |
| CD2 | CG | CB | HB1C | 149.3° | 153.9° |
| CD2 | CG | CB | HB2C | 89.8° | 82.9° |
| OD1 | CG | CB | HG | 123.4° | 123.9° |
| OD1 | CG | CB | CA | 88.7° | 82.7° |
| OD1 | CG | CD2 | HD21 | 27.6° | 37.8° |
| OD1 | CG | CD2 | HD22 | 149.0° | 160.1° |
| OD1 | CG | CB | HB1C | 30.8° | 35.9° |
| OD1 | CG | CB | HB2C | 151.7° | 159.1° |
| CG | CB | CA | HB1C | 119.5° | 118.4° |
| CG | CB | CA | HB2C | 119.5° | 118.3° |
| CG | CB | CA | C | 143.4° | 141.4° |
| CB | CG | CD2 | HD21 | 146.9° | 155.8° |
| CB | CG | CD2 | HD22 | 91.7° | 81.9° |
| CG | CB | CA | HA | 95.7° | 97.5° |
| CB | CG | OD1 | HD1 | 64.0° | 173.7° |
| CG | CB | HB1C | HB2C | 121.4° | 123.2° |
| CB | CA | C | HA | 119.9° | 121.1° |
| CB | CA | C | O | 91.1° | 99.3° |
| CB | CA | C | NAO | 87.7° | 80.6° |
| CA | CB | CG | HG | 147.9° | 153.4° |
| CA | CB | HB1C | HB2C | 121.4° | 123.1° |
| CA | C | O | NAO | 178.7° | 179.9° |
| CA | C | NAO | CAK | 173.3° | 180.0° |
| C | CA | CB | HB1C | 97.1° | 100.2° |
| C | CA | CB | HB2C | 23.8° | 23.0° |
| CA | C | NAO | HAO | 6.7° | 0.0° |
| O | C | NAO | CAK | 5.5° | 0.0° |
| O | C | CA | HA | 149.0° | 139.6° |
| O | C | NAO | HAO | 174.5° | 180.0° |
| C | NAO | CAK | HAO | 180.0° | 180.0° |
| C | NAO | CAK | CAS | 90.8° | 180.0° |
| NAO | C | CA | HA | 32.2° | 40.4° |
| C | NAO | CAK | HAK1 | 29.5° | 60.0° |
| C | NAO | CAK | HAK2 | 148.9° | 60.0° |
| NAO | CAK | CAS | HAK1 | 120.3° | 120.0° |
| NAO | CAK | CAS | HAK2 | 120.3° | 120.0° |
| NAO | CAK | CAS | CAF | 8.2° | 90.0° |
| NAO | CAK | CAS | CAE | 168.1° | 90.3° |
| NAO | CAK | HAK1 | HAK2 | 119.1° | 120.0° |
| CAK | CAS | CAF | CAE | 176.3° | 179.8° |
| CAK | CAS | CAF | CAH | 177.9° | 179.9° |
| CAK | CAS | CAE | CAG | 178.2° | 180.0° |
| CAS | CAK | NAO | HAO | 89.2° | 0.0° |
| CAS | CAK | HAK1 | HAK2 | 119.0° | 120.0° |
| CAK | CAS | CAF | HAF | 2.1° | 0.0° |
| CAK | CAS | CAE | HAE | 1.8° | 0.0° |
| CAS | CAF | CAH | HAF | 180.0° | 179.9° |
| CAS | CAF | CAH | CAT | 0.1° | 0.0° |
| CAF | CAS | CAE | CAG | 1.7° | 0.3° |
| CAF | CAS | CAK | HAK1 | 128.5° | 30.0° |
| CAF | CAS | CAK | HAK2 | 112.1° | 150.0° |
| CAF | CAS | CAE | HAE | 178.3° | 179.7° |
| CAS | CAF | CAH | HAH | 179.9° | 179.9° |
| CAE | CAS | CAF | CAH | 1.6° | 0.3° |
| CAS | CAE | CAG | HAE | 180.0° | 180.0° |
| CAS | CAE | CAG | CAT | 0.3° | 0.0° |
| CAE | CAS | CAK | HAK1 | 47.8° | 149.7° |
| CAE | CAS | CAK | HAK2 | 71.6° | 29.8° |
| CAE | CAS | CAF | HAF | 178.4° | 179.7° |
| CAS | CAE | CAG | HAG | 179.7° | 180.0° |
| CAF | CAH | CAT | HAH | 180.0° | 180.0° |
| CAF | CAH | CAT | CAG | 1.3° | 0.3° |
| CAF | CAH | CAT | CAU | 176.7° | 180.0° |
| CAH | CAT | CAG | CAE | 1.2° | 0.3° |
| CAH | CAT | CAG | CAU | 178.1° | 179.7° |
| CAH | CAT | CAU | OAP | 23.2° | 0.0° |
| CAH | CAT | CAU | CAJ | 151.9° | 179.7° |
| CAT | CAH | CAF | HAF | 179.9° | 180.0° |
| CAH | CAT | CAG | HAG | 178.8° | 179.7° |
| CAE | CAG | CAT | HAG | 180.0° | 179.9° |
| CAE | CAG | CAT | CAU | 176.9° | 180.0° |
| CAG | CAT | CAU | OAP | 158.8° | 179.7° |
| CAG | CAT | CAU | CAJ | 26.1° | 0.0° |
| CAT | CAG | CAE | HAE | 179.7° | 179.9° |
| CAG | CAT | CAH | HAH | 178.7° | 179.7° |
| CAT | CAU | OAP | CAJ | 175.8° | 179.8° |
| CAT | CAU | OAP | CAI | 178.2° | 180.0° |
| CAT | CAU | CAJ | NAN | 178.0° | 179.9° |
| CAU | CAT | CAH | HAH | 3.3° | 0.0° |
| CAU | CAT | CAG | HAG | 3.1° | 0.0° |
| CAT | CAU | CAJ | HAJ | 2.0° | 0.0° |
| CAU | OAP | CAI | NAN | 1.7° | 0.0° |
| OAP | CAU | CAJ | NAN | 2.2° | 0.3° |
| OAP | CAU | CAJ | HAJ | 177.8° | 179.8° |
| CAU | OAP | CAI | HAI | 178.3° | 180.0° |
| CAJ | CAU | OAP | CAI | 2.4° | 0.2° |
| CAU | CAJ | NAN | CAI | 1.1° | 0.3° |
| CAU | CAJ | NAN | HAJ | 180.0° | 179.9° |
| OAP | CAI | NAN | HAI | 180.0° | 180.0° |
| OAP | CAI | NAN | CAJ | 0.4° | 0.2° |
| CAI | NAN | CAJ | HAJ | 178.9° | 179.8° |
| CAJ | NAN | CAI | HAI | 179.6° | 179.8° |
| HAA1 | CAA | HAA2 | HAA3 | 119.9° | 119.9° |
| HD21 | CD2 | CG | HG | 94.8° | 86.1° |
| HD22 | CD2 | CG | HG | 26.6° | 36.2° |
| HA | CA | CB | HB1C | 23.8° | 21.0° |
| HA | CA | CB | HB2C | 144.8° | 144.2° |
| HG | CG | OD1 | HD1 | 58.6° | 62.4° |
| HG | CG | CB | HB1C | 92.6° | 88.0° |
| HG | CG | CB | HB2C | 28.3° | 35.2° |
| HAO | NAO | CAK | HAK1 | 150.6° | 120.0° |
| HAO | NAO | CAK | HAK2 | 31.1° | 120.0° |
| HAF | CAF | CAH | HAH | 0.1° | 0.0° |
| HAE | CAE | CAG | HAG | 0.3° | 0.0° |
